ChemSpider 2D Image | 3-(Phosphonooxy)-1,2-propanediyl (9E,9'E)bis(-9-octadecenoate) | C39H73O8P

3-(Phosphonooxy)-1,2-propanediyl (9E,9'E)bis(-9-octadecenoate)

  • Molecular FormulaC39H73O8P
  • Average mass700.966 Da
  • Monoisotopic mass700.504333 Da
  • ChemSpider ID4730050

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9E,9'E)Bis(-9-octadécénoate) de 3-(phosphonooxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
3-(Phosphonooxy)-1,2-propandiyl-(9E,9'E)bis(-9-octadecenoat) [German] [ACD/IUPAC Name]
3-(Phosphonooxy)-1,2-propanediyl (9E,9'E)bis(-9-octadecenoate) [ACD/IUPAC Name]
9-Octadecenoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (9E,9'E)- [ACD/Index Name]
Dioleoylphosphatidate
[2,3-bis(octadec-9-enoyloxy)propoxy]phosphonic acid
{2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}phosphonic acid
1,2-Dioleoyl-sn-Glycero-3-Phosphate
14268-17-8 [RN]
61617-08-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 743.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 198.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.76
ACD/LogD (pH 5.5): 9.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 100816.35
ACD/LogD (pH 7.4): 8.56
ACD/BCF (pH 7.4): 175473.75
ACD/KOC (pH 7.4): 11862.10
Polar Surface Area: 129 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 692.4±3.0 cm3

Click to predict properties on the Chemicalize site


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